2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol

C12H20O — CID 130525906

IUPAC2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol
SMILESOC1(CC2CCCC2)CCC2CC21
InChIInChI=1S/C12H20O/c13-12(6-5-10-7-11(10)12)8-9-3-1-2-4-9/h9-11,13H,1-8H2
InChIKeyHTZRFFFOPYXXAJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.73
Rot. Bonds2

About 2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol

2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol (PubChem CID 130525906) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol
PubChem CID130525906
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol
SMILESOC1(CC2CCCC2)CCC2CC21
InChIInChI=1S/C12H20O/c13-12(6-5-10-7-11(10)12)8-9-3-1-2-4-9/h9-11,13H,1-8H2
InChIKeyHTZRFFFOPYXXAJ-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol?
The IUPAC name of 2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol (CID 130525906) is 2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for 2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for 2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol is OC1(CC2CCCC2)CCC2CC21.
What is the InChIKey of 2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol?
The InChIKey is HTZRFFFOPYXXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c13-12(6-5-10-7-11(10)12)8-9-3-1-2-4-9/h9-11,13H,1-8H2.
What are the key properties of 2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol?
2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol has a molecular weight of 180.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)bicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 130525906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).